Postdoc positions in Computational Electrocatalysis

fredag 24 maj 19

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Frist 23. juni 2019
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The Section for Atomic Scale Materials Modelling at DTU Energy, Technical University of Denmark (DTU), is looking for outstanding candidates for two 2-year postdoc positions within the field of computational analysis and design of new catalysts and materials for high temperature water splitting and the electrochemical reduction of N2to NH3. The research projects are part of the Villum Center for the Science of Sustainable Fuels and Chemicals (V-SUSTAIN), which brings together researchers from the Technical University of Denmark, Stanford University, University of Copenhagen, and University of Southern Denmark, among others. 
Project description

The successful candidates will use Density Functional Theory (DFT) to elucidate fundamental reaction mechanisms and active sitesThe project on high temperature water electrolysis focuses on the development of theoretical models describing activity for H2formation on highly active ceria, e.g. as a function of particle size, morphology and doping. The project on N2reduction focuses on the prediction of nstructure and compostion of novel catalysts for electrochemical reduction of N2to NH3using methods such as genetic algorithms, cluster expansion and machine learning.The projects will be carried out in close collaboration with experimental groups in the Villum Center V-SUSTAIN and linked to other ongoing computational projects in the section working on electrocatalyst design and materials modelling.


Candidates should hold a PhD or equivalent degree in physics, chemistry or materials science. The candidate must have a strong background in computational chemistry/materials science and are expected to have performed original scientific research within density functional theory. Moreover, the successful candidate:

  • is innovative and able to work both independently and in cross-disciplinary teams
  • has good communication skills in English, both written and spoken
  • is able to work independently and take responsibility for progress and quality of projects. 

The assessment of the applicants will be made by: Head of Section, Professor Tejs Vegge and Associate Professor Heine A. Hansen


We offer

DTU is a leading technical university globally recognized for the excellence of its research, education, innovation and scientific advice. We offer a rewarding and challenging job in an international environment. We strive for academic excellence in an environment characterized by collegial respect and academic freedom tempered by responsibility.

Salary and terms of employment
The appointment will be based on the collective agreement with the Danish Confederation of Professional Associations. The allowance will be agreed upon with the relevant union.

You can read more about career paths at DTU here.

The appointment will be for 2 years.

The employment is expected to start September 1st, 2019 or shortly thereafter.

Further information

If you need further information concerning this position, please contact Prof. Tejs Vegge at or Associate Professor Heine A. Hansen at


Please do not send applications to these e-mail addresses, instead apply online as described below.

We must have your online application by 23 June 2019.

Applications must be submitted as one PDF file containing all materials to be given consideration. To apply, please open the link "Apply online", fill out the online application form, and attach all your materials in English in one PDF file. The file must include:

  • Application (cover letter)
  • CV
  • Diploma (MSc/PhD)
  • List of publications
  • List of References (at least two) 

All interested candidates irrespective of age, gender, race, disability, religion or ethnic background are encouraged to apply.

DTU Energy

The Department of Energy Conversion and Storage is focused on education, research, and development within functional materials and their application in sustainable energy technologies. The Departmentis focusing on functional materials and their application in sustainable energy technology. Our research areas include fuel cells, electrolysis, polymer solar cells, magnetic refrigeration, superconductivity, thermo electrics, sustainable synthetic fuels, and batteries. Additional information about the department can be found on


DTU is a technical university providing internationally leading research, education, innovation and scientific advice. Our staff of 6,000 advance science and technology to create innovative solutions that meet the demands of society, and our 11,200 students are being educated to address the technological challenges of the future. DTU is an independent university collaborating globally with business, industry, government and public agencies.